Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8958a5a84e8bb9117e1f9bc84402a89",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 91.24,
"b": 137.23,
"c": 82.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.700,1.440],
"number_observations": 1186942,
"number_observations_unique": 93157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.440],
"number_observations": 61677,
"number_observations_unique": 6453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.792
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [45.700,6.460],
"number_observations": 13542,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 74.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}